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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01419168

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
240(2S)-2-(2-{[1-(4-METHOXYBENZOYL)-
2-METHYL-5-(TRIFLUOROMETHOXY)-1H-
INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID		A,B2Q590.72
PDS3-{1-[3-(DIMETHYLAMINO)PROPYL]-
2-METHYL-1H-INDOL-3-YL}-4-(2-METHYL-
1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE		A,B2I0E0.7
IQA(5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUINAZOLIN-
7-YL)-ACETIC ACID		A1OM10.71
TCRCYCLOMETHYLTRYPTOPHANA3AIG0.72
ET03-(5-methoxy-1H-indol-3-yl)propanoic acidA,B3ET00.7
3IL3-(INDOL-3-YL) LACTATEA2A7P0.79
DTRD-TRYPTOPHANA,B,C,D2R3C0.72
DTRD-TRYPTOPHANA1XY80.72
DTRD-TRYPTOPHANA,B,C,H,K,L2R5D0.72
DTRD-TRYPTOPHANA2V7K0.72
DTRD-TRYPTOPHANA,D1CZQ0.72
DTRD-TRYPTOPHANA1DFY0.72
DTRD-TRYPTOPHANA1XY50.72
DTRD-TRYPTOPHANA1NXN0.72
DTRD-TRYPTOPHANA1TKF0.72
DTRD-TRYPTOPHANA1YL90.72
DTRD-TRYPTOPHANA1XXZ0.72
DTRD-TRYPTOPHANA1XY40.72
DTRD-TRYPTOPHANA,D2Q3I0.72
DTRD-TRYPTOPHANA1QFB0.72
DTRD-TRYPTOPHANA1DFZ0.72
DTRD-TRYPTOPHANA1XY90.72
DTRD-TRYPTOPHANA1XY60.72
DTRD-TRYPTOPHANA2SOC0.72
DTRD-TRYPTOPHANA2JUE0.72
DTRD-TRYPTOPHANA1SOC0.72
DTRD-TRYPTOPHANA1YL80.72
DTRD-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.72
DTRD-TRYPTOPHANA,B2Q330.72
DTRD-TRYPTOPHANA1DG00.72
DTRD-TRYPTOPHANA,B,C,H,K,L2R5B0.72
VAW(2S,3R,4S)-methyl 4-(2-(2-(1H-indol-
3-yl)ethylamino)ethyl)-2-((2S,3R,4S,5S,6R)-
3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-
2H-pyran-2-yloxy)-3-vinyl-3,4-dihydro-
2H-pyran-5-carboxylate		A,B2VAQ0.72
B49N-[2-(diethylamino)ethyl]-5-[(Z)-
(5-fluoro-2-oxo-1,2-dihydro-3H-
indol-3-ylidene)methyl]-2,4-dimethyl-
1H-pyrrole-3-carboxamide		A,B3G0F0.72
B49N-[2-(diethylamino)ethyl]-5-[(Z)-
(5-fluoro-2-oxo-1,2-dihydro-3H-
indol-3-ylidene)methyl]-2,4-dimethyl-
1H-pyrrole-3-carboxamide		A3G0E0.72
CLI3-(2-CARBOXY-ETHYL)-4,6-DICHLORO-
1H-INDOLE-2-CARBOXYLIC ACID		A,F1LEV0.72
IQZ(12bS)-1,2,3,4,12,12b-hexahydroindolo[2,3-
a]quinolizin-7(6H)-one		A1S1J0.73
5Z55-[(Z)-(5-CHLORO-2-OXO-1,2-DIHYDRO-
3H-INDOL-3-YLIDENE)METHYL]-N-(DIETHYLAMINO)ETHYL]-
2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE		A2JAV0.7
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.77
OAI6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACIDA1C830.73
BH1BACTERIOPHEOPHYTINH,L,M2BOZ0.74
BH1BACTERIOPHEOPHYTINA,B2BNS0.74
BH1BACTERIOPHEOPHYTINA,B2BNP0.74
ITRIMINO-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.73
I4A5-(3-carbamoylbenzyl)-5,6,7,8,9,10-
hexahydrocyclohepta[b]indole-4-
carboxylic acid		A3FR50.7
PQQPYRROLOQUINOLINE QUINONEA,B1CQ10.72
PQQPYRROLOQUINOLINE QUINONEA,B1OTW0.72
PQQPYRROLOQUINOLINE QUINONEA,B1C9U0.72
PQQPYRROLOQUINOLINE QUINONEA,C1W6S0.72
PQQPYRROLOQUINOLINE QUINONEA,B1FLG0.72
PQQPYRROLOQUINOLINE QUINONEA1KV90.72
PQQPYRROLOQUINOLINE QUINONEA,C2AD60.72
PQQPYRROLOQUINOLINE QUINONEA,B1CRU0.72
PQQPYRROLOQUINOLINE QUINONEA,C1H4I0.72
PQQPYRROLOQUINOLINE QUINONEA,C2AD70.72
PQQPYRROLOQUINOLINE QUINONEA,C2AD80.72
PQQPYRROLOQUINOLINE QUINONEA,D,I2D0V0.72
PQQPYRROLOQUINOLINE QUINONEA,C4AAH0.72
PQQPYRROLOQUINOLINE QUINONEA,C,E,G1H4J0.72
PQQPYRROLOQUINOLINE QUINONEA1KB00.72
PQQPYRROLOQUINOLINE QUINONEA1YIQ0.72
PQQPYRROLOQUINOLINE QUINONEA,C1LRW0.72
PQQPYRROLOQUINOLINE QUINONEA,C1G720.72
NCX1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-
ERYTHRO-PENTOFURANOSYL)-5-NITRO-
1H-INDOLE-3-CARBOXAMIDE		A2O4Y0.7
7HI(3R,5R)-7-[3-(biphenyl-4-ylcarbamoyl)-
2-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyrrol-
1(4H)-yl]-3,5-dihydroxyheptanoic acid		A,B,C,D3CD50.73
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AH00.71
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AGZ0.71
1177-[2-(4-FLUORO-PHENYL)-5-ISOPROPYL-
3-PHENYL-4-PHENYLCARBAMOYL-PYRROL-
1-YL]- 3,5-DIHYDROXY-HEPTANOIC ACID		A,B,C,D1HWK0.72
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.71
4IN4-AMINO-L-TRYPTOPHANA1OXF0.71
IAC1H-INDOL-3-YLACETIC ACIDB2P1Q0.77
IAC1H-INDOL-3-YLACETIC ACIDA2OYF0.77
IAC1H-INDOL-3-YLACETIC ACIDA,B3FVU0.77
IAC1H-INDOL-3-YLACETIC ACIDB2P1P0.77
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.74
FT66-FLUORO-L-TRYPTOPHANA,B2NW90.71
CMM2-[2-(1-CARBAMIMIDOYL-PIPERIDIN-
3-YL)-ACETYLAMINO]-3-{4-[2-(3-OXALYL-
1H-INDOL-7-YL)ETHYL]-PHENYL}-PROPIONIC ACID METHYL ESTER		A,B1M490.72
SU13-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-
2-YL)METHYLENE]-2-INDOLINONE		A,B1FGI0.73
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.76
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.76
KAWN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-tryptophan		A3BKL0.72
A465-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}-
1H-indole-2-carboxamide		A,B2ZB20.71
PHOPHEOPHYTIN AA,B,C,D,F,H,
K,L,T,V,Z		3A0H0.77
PHOPHEOPHYTIN AZ1W5C0.77
PHOPHEOPHYTIN AA,B,C,D,F,H,
I,K,L,M,T,V,X		2AXT0.77
PHOPHEOPHYTIN AA,B,C,D,E,H,
J,K,L,T,V,Z		3A0B0.77
PHOPHEOPHYTIN AA,B,C,D,E,F,
H,I,J,K,M,O,
T,V,Z		3BZ10.77
PHOPHEOPHYTIN A0,A,B,C,D,E,
G,J,K,L,M,N,
P,R,V,W		1IZL0.77
PHOPHEOPHYTIN AA,B,C,D,E,F,
J,K,V		1S5L0.77
PHOPHEOPHYTIN AA,B,C,D,F,G,
H,I,J,K,L,M,
O,P,Q,R		1ILX0.77
PHOPHEOPHYTIN AA,B,C,D,F,G,
H,I,J,K,L,M,
O,P,Q,R		1FE10.77
PHOPHEOPHYTIN AA,B,C,D,E,F,
H,I,J,K,L,M,
O,T,V,X,Z		3BZ20.77
8249-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-
1,3(2H,6H)-DIONE		A1X8B0.71
IOPINDOLYLPROPIONIC ACIDA,B1AHF0.74
IOPINDOLYLPROPIONIC ACIDA2OLI0.74
IOPINDOLYLPROPIONIC ACIDA,B2AY50.74
241(2S)-2-(3-{[1-(4-METHOXYBENZOYL)-
2-METHYL-5-(TRIFLUOROMETHOXY)-1H-
INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID		A,B2Q5P0.72
4FW4-FLUOROTRYPTOPHANEA1RM90.71
DRK3-({[(3S)-3,4-dihydroxybutyl]oxy}amino)-
1H,2'H-2,3'-biindol-2'-one		A3F3Z0.72
DRK3-({[(3S)-3,4-dihydroxybutyl]oxy}amino)-
1H,2'H-2,3'-biindol-2'-one		A,C3EB00.72
SNX2-[(2-methoxyethyl)amino]-4-(4-
oxo-1,2,3,4-tetrahydro-9H-carbazol-
9-yl)benzamide		A3D0B0.73
2S8(2S)-8-[(tert-butoxycarbonyl)amino]-
2-(1H-indol-3-yl)octanoic acid		B3C6N0.77
CRR3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-
2,5-DICARBOXYLIC ACID		A2Z3U0.72
FTRFLUOROTRYPTOPHANEA2JT80.71
FTRFLUOROTRYPTOPHANEA,B1NF00.71
FTRFLUOROTRYPTOPHANEA2JTZ0.71
FTRFLUOROTRYPTOPHANEA,B1I450.71
FTRFLUOROTRYPTOPHANEA,B2ZNX0.71
FTRFLUOROTRYPTOPHANEA,B1NEY0.71
FTRFLUOROTRYPTOPHANEA,B5FWG0.71
UP3A3D8N0.71
S55METHYL (2S,3R,4S)-3-ETHYL-2-(BETA-
D-GLUCOPYRANOSYLOXY)-4-[(1S)-2,3,4,9-
TETRAHYDRO-1H-BETA-CARBOLIN-1-YLMETHYL]-
3,4-DIHYDRO-2H-PYRAN-5-CARBOXYLATE		A,B2JF60.74
S55METHYL (2S,3R,4S)-3-ETHYL-2-(BETA-
D-GLUCOPYRANOSYLOXY)-4-[(1S)-2,3,4,9-
TETRAHYDRO-1H-BETA-CARBOLIN-1-YLMETHYL]-
3,4-DIHYDRO-2H-PYRAN-5-CARBOXYLATE		A,B2V910.74
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid		A3FR20.72
MPE(1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)-
ACETIC ACID		A1M4A0.73
HTRBETA-HYDROXYTRYPTOPHANEA,B1QPA0.72
HTRBETA-HYDROXYTRYPTOPHANEA,B1B800.72
HTRBETA-HYDROXYTRYPTOPHANEA1ROV0.72
CBB1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-
2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-
BENZYLESTER		B1LPK0.72
IDA(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-
INDOL-7-YL)ACETIC ACID		A,B1OXL0.78
I3A1H-INDOLE-3-CARBALDEHYDEA,B,C,D3BWL0.74
I3A1H-INDOLE-3-CARBALDEHYDEA,B2OU30.74
TTR9-ACETYL-2,3,4,9-TETRAHYDRO-1H-
CARBAZOL-1-ONE		A2D820.7
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.77
C80(2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-
BENZYL-1H-INDOLE-3-CARBOXYLATE		C,O2V110.74
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID		A,B1PGF0.71
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID		A,B1PGG0.71
BPBBACTERIOPHEOPHYTIN BC,H,L,M3PRC0.76
BPBBACTERIOPHEOPHYTIN BC,H,L,M6PRC0.76
BPBBACTERIOPHEOPHYTIN BH,L,M1RY50.76
BPBBACTERIOPHEOPHYTIN BH,L,M1RZH0.76
BPBBACTERIOPHEOPHYTIN BL,M,R,S1RZZ0.76
BPBBACTERIOPHEOPHYTIN BL,M,R,S1S000.76
BPBBACTERIOPHEOPHYTIN BC,H,L,M2JBL0.76
BPBBACTERIOPHEOPHYTIN BC,H,L,M1VRN0.76
BPBBACTERIOPHEOPHYTIN BC,H,L,M7PRC0.76
BPBBACTERIOPHEOPHYTIN BC,H,L,M2PRC0.76
BPBBACTERIOPHEOPHYTIN BH,L,M1UMX0.76
BPBBACTERIOPHEOPHYTIN BC,H,L,M1R2C0.76
BPBBACTERIOPHEOPHYTIN BC,H,L,M3D380.76
BPBBACTERIOPHEOPHYTIN BC,H,L,M2I5N0.76
BPBBACTERIOPHEOPHYTIN BC,H,L,M5PRC0.76
BPBBACTERIOPHEOPHYTIN BC,H,L,M1PRC0.76
BPBBACTERIOPHEOPHYTIN BH,L,M1RVJ0.76
BPBBACTERIOPHEOPHYTIN BC,H,L,M,U1DXR0.76
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.76
PATALPHA-PHOSPHONO-TRYPTOPHANA,B1I730.71
TRO2-HYDROXY-TRYPTOPHANA1KB00.73
TRO2-HYDROXY-TRYPTOPHANA1G3P0.73
1157-[3-(4-FLUORO-PHENYL)-1-ISOPROPYL-
1H-INDOL-2-YL]-3,5-DIHYDROXY-HEPTANOIC ACID		A,B,C,D1HWI0.72
PP9PROTOPORPHYRIN IXA1Z530.7
PP9PROTOPORPHYRIN IXA,B,C,D2HRE0.7
PP9PROTOPORPHYRIN IXA,B2QD50.7
PP9PROTOPORPHYRIN IXA1HRS0.7
PP9PROTOPORPHYRIN IXA,B,C,D2QD10.7
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.73
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.73
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.76
BPHBACTERIOPHEOPHYTIN AH,L,M1RG50.76
BPHBACTERIOPHEOPHYTIN AH,L,M2UWT0.76
BPHBACTERIOPHEOPHYTIN A1,2,3,5,6,7,
8,A,B,D,E,F,
G,H,I,J,K,L,
M,N,P,R,S,T,
U,V,W,Y		1PYH0.76
BPHBACTERIOPHEOPHYTIN AA,B,C1Z9K0.76
BPHBACTERIOPHEOPHYTIN AH,L,M2UXK0.76
BPHBACTERIOPHEOPHYTIN AH,L,M1RY50.76
BPHBACTERIOPHEOPHYTIN AH,L,M1RZH0.76
BPHBACTERIOPHEOPHYTIN AC,H,L,M1EYS0.76
BPHBACTERIOPHEOPHYTIN AH,L,M2UWS0.76
BPHBACTERIOPHEOPHYTIN AL,M4RCR0.76
BPHBACTERIOPHEOPHYTIN AH,L,M1K6N0.76
BPHBACTERIOPHEOPHYTIN AL,M1YF60.76
BPHBACTERIOPHEOPHYTIN AH,L,M2UX50.76
BPHBACTERIOPHEOPHYTIN AH,L,M3DTS0.76
BPHBACTERIOPHEOPHYTIN AC1E140.76
BPHBACTERIOPHEOPHYTIN AH,L,M3DTA0.76
BPHBACTERIOPHEOPHYTIN AL,M1PST0.76
BPHBACTERIOPHEOPHYTIN AL,M1KBY0.76
BPHBACTERIOPHEOPHYTIN AC,H,L,M1L9B0.76
BPHBACTERIOPHEOPHYTIN AL,M2RCR0.76
BPHBACTERIOPHEOPHYTIN AL,M1PCR0.76
BPHBACTERIOPHEOPHYTIN AL,M1M3X0.76
BPHBACTERIOPHEOPHYTIN AH,L,M2HJ60.76
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DS80.76
BPHBACTERIOPHEOPHYTIN AH,L,M1FNQ0.76
BPHBACTERIOPHEOPHYTIN AH,L,M2UXJ0.76
BPHBACTERIOPHEOPHYTIN AL,M1QOV0.76
BPHBACTERIOPHEOPHYTIN AH,L,M3DU30.76
BPHBACTERIOPHEOPHYTIN AH,L,M2UX40.76
BPHBACTERIOPHEOPHYTIN AL,M,R,S1AIJ0.76
BPHBACTERIOPHEOPHYTIN AL,M,N,O1AIG0.76
BPHBACTERIOPHEOPHYTIN AH,L,M1RGN0.76
BPHBACTERIOPHEOPHYTIN AL,M1JGX0.76
BPHBACTERIOPHEOPHYTIN AH,L,M2UWV0.76
BPHBACTERIOPHEOPHYTIN AH,L,M1RQK0.76
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DV60.76
BPHBACTERIOPHEOPHYTIN AH,L,M2UWW0.76
BPHBACTERIOPHEOPHYTIN AL,M,R,S1RZZ0.76
BPHBACTERIOPHEOPHYTIN AL,M,R,S1S000.76
BPHBACTERIOPHEOPHYTIN AH,L,M2HG30.76
BPHBACTERIOPHEOPHYTIN AH,L,M2UX30.76
BPHBACTERIOPHEOPHYTIN AL,M1OGV0.76
BPHBACTERIOPHEOPHYTIN AH,L,M3DUQ0.76
BPHBACTERIOPHEOPHYTIN AA,B1Z9J0.76
BPHBACTERIOPHEOPHYTIN AH,L,M2GNU0.76
BPHBACTERIOPHEOPHYTIN AC1E6D0.76
BPHBACTERIOPHEOPHYTIN AL,M1MPS0.76
BPHBACTERIOPHEOPHYTIN AL,M,X2UXM0.76
BPHBACTERIOPHEOPHYTIN AH,L,M1RVJ0.76
BPHBACTERIOPHEOPHYTIN AH,L,M2UXL0.76
BPHBACTERIOPHEOPHYTIN AC,D,L,M,R,S1L9J0.76
BPHBACTERIOPHEOPHYTIN AL,M2JJ00.76
BPHBACTERIOPHEOPHYTIN AL,M1JH00.76
BPHBACTERIOPHEOPHYTIN AH,L,M2GMR0.76
BPHBACTERIOPHEOPHYTIN AH,L,M3DU20.76
BPHBACTERIOPHEOPHYTIN AL,M1PSS0.76
BPHBACTERIOPHEOPHYTIN AH,L,M2HG90.76
BPHBACTERIOPHEOPHYTIN AH,L,M2HIT0.76
BPHBACTERIOPHEOPHYTIN AH,L,M2JIY0.76
BPHBACTERIOPHEOPHYTIN AH,L,M2UWU0.76
BPHBACTERIOPHEOPHYTIN AL,M1JGZ0.76
BPHBACTERIOPHEOPHYTIN AH,L,M2J8C0.76
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DV30.76
BPHBACTERIOPHEOPHYTIN AH,L,M3DSY0.76
BPHBACTERIOPHEOPHYTIN AH,L,M1F6N0.76
BPHBACTERIOPHEOPHYTIN AH,L,M1FNP0.76
BPHBACTERIOPHEOPHYTIN AH,L,M1K6L0.76
BPHBACTERIOPHEOPHYTIN AH,L,M2HHK0.76
BPHBACTERIOPHEOPHYTIN AL,M1JGW0.76
BPHBACTERIOPHEOPHYTIN AH,L,M2J8D0.76
BPHBACTERIOPHEOPHYTIN AL,M1YST0.76
BPHBACTERIOPHEOPHYTIN AH,L,M3DTR0.76
BPHBACTERIOPHEOPHYTIN AL,M1JGY0.76
BPHBACTERIOPHEOPHYTIN AH,L,M2HH10.76